benzyl 3-iodoazetidine-1-carboxylate

benzyl 3-iodoazetidine-1-carboxylate

CAS: 939759-26-9

Formula: C11H12INO2

SMILES: IC1CN(C1)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 3-iodoazetidine-1-carboxylate

InChI: InChI=1S/C11H12INO2/c12-10-6-13(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2

Composition: C (41.66%), H (3.81%), I (40.02%), N (4.42%), O (10.09%)

Molar Mass: 317.126

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	316.99127
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	SNXKRIUJMHHPOB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.95
Topological Polar Surface Area	29.54
Polarizability	25.75
Ring Count	2
Rotatable Bond Count	3

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